1,2,3,4-tetraphenylanthracen-9-amine

C38H27N — CID 87707890

IUPAC1,2,3,4-tetraphenylanthracen-9-amine
SMILESNc1c2ccccc2cc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C38H27N/c39-38-31-24-14-13-23-30(31)25-32-33(26-15-5-1-6-16-26)34(27-17-7-2-8-18-27)35(28-19-9-3-10-20-28)36(37(32)38)29-21-11-4-12-22-29/h1-25H,39H2
InChIKeyRESGLUMPLLVIFA-UHFFFAOYSA-N
MW497.64 g/mol
LogP10.24
Rot. Bonds4

About 1,2,3,4-tetraphenylanthracen-9-amine

1,2,3,4-tetraphenylanthracen-9-amine (PubChem CID 87707890) has the molecular formula C38H27N and a molecular weight of 497.64 g/mol. Its IUPAC name is 1,2,3,4-tetraphenylanthracen-9-amine.

Molecular Properties

Compound Name1,2,3,4-tetraphenylanthracen-9-amine
PubChem CID87707890
Molecular FormulaC38H27N
Molecular Weight497.64 g/mol
Exact Mass497.21
IUPAC Name1,2,3,4-tetraphenylanthracen-9-amine
SMILESNc1c2ccccc2cc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C38H27N/c39-38-31-24-14-13-23-30(31)25-32-33(26-15-5-1-6-16-26)34(27-17-7-2-8-18-27)35(28-19-9-3-10-20-28)36(37(32)38)29-21-11-4-12-22-29/h1-25H,39H2
InChIKeyRESGLUMPLLVIFA-UHFFFAOYSA-N
XLogP10.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 510.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

16,30-diphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene
CID 86210878
2,4-diphenylanthracene-1,3-diamine
CID 150185829
5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene
CID 160818251
15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 123175805
6-phenyl-5H-benzo[b]carbazole
CID 10756140
2-phenyl-3-prop-2-enylnaphthalen-1-amine
CID 174881898
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
2,4,6-triphenylbenzene-1,3,5-triamine
CID 22926582
3-phenylheptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene
CID 59642464
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
19,30-diphenylheptacyclo[16.12.0.03,16.04,13.06,11.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 22900026
2-(2-phenylphenyl)naphthalen-1-amine
CID 141161672

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetraphenylanthracen-9-amine?
The IUPAC name of 1,2,3,4-tetraphenylanthracen-9-amine (CID 87707890) is 1,2,3,4-tetraphenylanthracen-9-amine.
What is the SMILES notation for 1,2,3,4-tetraphenylanthracen-9-amine?
The canonical SMILES for 1,2,3,4-tetraphenylanthracen-9-amine is Nc1c2ccccc2cc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 1,2,3,4-tetraphenylanthracen-9-amine?
The InChIKey is RESGLUMPLLVIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N/c39-38-31-24-14-13-23-30(31)25-32-33(26-15-5-1-6-16-26)34(27-17-7-2-8-18-27)35(28-19-9-3-10-20-28)36(37(32)38)29-21-11-4-12-22-29/h1-25H,39H2.
What are the key properties of 1,2,3,4-tetraphenylanthracen-9-amine?
1,2,3,4-tetraphenylanthracen-9-amine has a molecular weight of 497.64 g/mol, XLogP of 10.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetraphenylanthracen-9-amine is sourced from PubChem (CID 87707890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).